SCHEMBL18278489

SCHEMBL18278489

Cc1cc(Nc2ncn(-c3ccnc(Cl)c3)n2)cc(N2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ APP P05067 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDR P35968 5/20 0.35
▸ CAMK2D Q13557 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18278091 0.84 MAPT (0.44) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18278350 0.83 MAPT (0.46) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18278196 0.83 HRH4 (0.57) CCNT1CCNA2CDK2CDK9APP
SCHEMBL20242805 0.81 HRH4 (0.47) CDK2KDM4EMEN1ALDH1A1GAA
SCHEMBL18278823 0.81 MAPT (0.41) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18277939 0.81 HTT (0.41) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18278001 0.81 HTT (0.40) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18278122 0.79 MAPT (0.39) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18278268 0.79 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9KDM4E
SCHEMBL18277998 0.78 CDK2 (0.40) CCNT1CCNA2CDK2CDK9KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 — — US claimed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 — — US claimed
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 — — US claimed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 — — US disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 — — US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 — — US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 — — US disclosed
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 — — US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 — — US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 — — US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases PMP22, MYT1, IKZF3 CCNT1 4391/4885CCNA2 4527/4885CDK2 3840/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 CCNT1 4391/4885CCNA2 4527/4885CDK2 3840/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE CCNT1 3951/4885CCNA2 4338/4885CDK2 3935/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 CCNT1 4391/4885CCNA2 4527/4885CDK2 3840/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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